SCHEMBL3372362

SCHEMBL3372362

COC(=O)c1ccc(C(C)(C)C)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.65
CA2 P00918 4/20 0.65
CA12 O43570 3/20 0.65
CA7 P43166 3/20 0.65
CA9 Q16790 3/20 0.65
CA14 Q9ULX7 3/20 0.65
XDH P47989 2/20 0.65
KDM4E B2RXH2 5/20 0.53
LMNA P02545 3/20 0.53
GAA P10253 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
POLB P06746 1/20 0.53
NFKB1 P19838 1/20 0.53
GFER P55789 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
FUT7 Q11130 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2310374 0.86 CA12 (0.65) CA1CA2CA12CA7CA9
SCHEMBL13440125 0.85 NOTUM (0.56) CA1CA2CA12CA7CA9
SCHEMBL3902096 0.84 NOTUM (0.69) CA1CA2CA12CA7CA9
SCHEMBL8658786 0.82 KDM4E (0.54) CA1CA2CA12CA7CA9
SCHEMBL15077180 0.82 NOTUM (0.53) CA1CA2CA12CA7CA9
SCHEMBL3371875 0.81 MAPT (0.58) CA1CA2CA12CA7CA9
SCHEMBL7608923 0.81 KDM4E (0.62) CA1CA2CA12CA7CA9
SCHEMBL15077182 0.81 NOTUM (0.55) CA1CA2CA12CA7CA9
SCHEMBL15077181 0.81 PDK1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL2240131 0.81 NOTUM (0.73) CA1CA2CA12CA7CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO disclosed
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194549-A1 Organic Compounds REN, ACE, OTC CA1 1328/4885CA2 537/4885CA12 1565/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.